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MolNFT v1 · #126605 · protein

Translation initiation factor 4E in complex with (rp)-M2(7,2'O)GPPSPG mRNA 5' cap analog (beta-S-arca D1)

5M7V · Eukaryotic translation initiation factor 4E: “Translation initiation factor 4E in complex with (rp)-M2(7,2'O)GPPSPG mRNA 5' cap analog (beta-S-arca D1)”. X-ray diffraction, 1 ligand (WZO), 6 pockets (best druggability 0.46). MolNFT…

PDB
5M7V
Type
protein
Length
685 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Eukaryotic translation initiation factor 4E
UniProt
P63073
Ligands
WZO
Pockets
6 · best druggability 0.46

Structure

x-ray diffraction · 3 distinct chains · 35% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BEukaryotic translation initiation factor 4Eprotein18133% helix, 29% strandP63073
CEukaryotic translation initiation factor 4Eprotein16436% helix, 29% strandP63073
DEukaryotic translation initiation factor 4Eprotein15935% helix, 32% strandP63073

Ligands and binding sites

  • WZO · [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl) phosphoryl] hydrogen phosphate · ligand · 3 copies · chains A, B, C
  • GOL · Glycerol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1990.460.7917WZO
21100.440.7816empty
3960.410.7718WZO
41110.390.7526empty
5540.370.8015empty

Interfaces

3 interfaces between chains.

  • B–C · 370 Ų buried · 6 hydrogen bonds · protein-protein
  • A–D · 364 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 343 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 5M7V · Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSpG mRNA 5' cap analog… · the same entry in another collection · chain A against A, TM-score 1.00
  • P63073 · AlphaFold monomer V2.0 prediction for eukaryotic translation initiation factor 4E (P63073) · a predicted model of the same protein · chain A against A, TM-score 0.98

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